SCHEMBL10522653

SCHEMBL10522653

CCCC(=O)C(=O)[C@H](CC1CCCCC1)N[C@@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)NC(=O)OC(C)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.41
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
GCK P35557 7/20 0.32
PLAU P00749 1/20 0.32
HPN P05981 1/20 0.32
CD4 P01730 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
USP30 Q70CQ3 3/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10522656 0.90 KLK7 (0.47) KLK7TLR2TLR1GCKPLAU
SCHEMBL10521150 0.90 KLK7 (0.40) KLK7TLR2TLR1GCK
SCHEMBL10519365 0.83 KLK7 (0.38) KLK7TLR2TLR1GCK
SCHEMBL10521155 0.82 KLK7 (0.46) KLK7TLR2TLR1
SCHEMBL10519933 0.80 CTSK (0.32)
SCHEMBL10519369 0.76 KLK7 (0.43) KLK7TLR2TLR1
SCHEMBL7441367 0.74 KLK7 (0.53) KLK7TLR2TLR1
SCHEMBL7274295 0.70 KLK7 (0.42) KLK7TLR2TLR1GCK
SCHEMBL7287334 0.69 KLK7 (0.41) KLK7
SCHEMBL7287986 0.69 KLK7 (0.43) KLK7TLR2TLR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4820691-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-04-11 US disclosed